N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide

C27H38N4O4 — CID 3960007

IUPACN-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C(C)C)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C27H38N4O4/c1-5-35-18-8-13-28-27(33)22-19-21(29-26(32)20(2)3)11-12-23(22)30-14-16-31(17-15-30)24-9-6-7-10-25(24)34-4/h6-7,9-12,19-20H,5,8,13-18H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyFKZYBNZWQSUWOL-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.77
Rot. Bonds11

About N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide

N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide (PubChem CID 3960007) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
PubChem CID3960007
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC NameN-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
SMILESCCOCCCNC(=O)c1cc(NC(=O)C(C)C)ccc1N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C27H38N4O4/c1-5-35-18-8-13-28-27(33)22-19-21(29-26(32)20(2)3)11-12-23(22)30-14-16-31(17-15-30)24-9-6-7-10-25(24)34-4/h6-7,9-12,19-20H,5,8,13-18H2,1-4H3,(H,28,33)(H,29,32)
InChIKeyFKZYBNZWQSUWOL-UHFFFAOYSA-N
XLogP3.77
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-5-[(2-ethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 42662088
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]benzamide
CID 3504402
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-[(4-methylbenzoyl)amino]benzamide
CID 3960083
5-(decanoylamino)-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 4603623
5-[(2,4-dimethoxybenzoyl)amino]-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 5158439
5-(3-cyclopentylpropanoylamino)-N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]benzamide
CID 3494735
2-(4-benzylpiperidin-1-yl)-N-(3-ethoxypropyl)-5-(2-methylpropanoylamino)benzamide
CID 3313553
N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 4687386
N-(3-ethoxypropyl)-5-[(2-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 3883995
N-cyclopropyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide
CID 42757134
5-(butanoylamino)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3541895
5-[(3,4-dimethylphenyl)carbamoylamino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)benzamide
CID 3953573

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide (CID 3960007) is N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide is CCOCCCNC(=O)c1cc(NC(=O)C(C)C)ccc1N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
The InChIKey is FKZYBNZWQSUWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O4/c1-5-35-18-8-13-28-27(33)22-19-21(29-26(32)20(2)3)11-12-23(22)30-14-16-31(17-15-30)24-9-6-7-10-25(24)34-4/h6-7,9-12,19-20H,5,8,13-18H2,1-4H3,(H,28,33)(H,29,32).
What are the key properties of N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide?
N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide has a molecular weight of 482.63 g/mol, XLogP of 3.77, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-5-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 3960007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).